UCSF

ZINC13550621

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.44 9.63 -13.4 1 5 0 72 372.833 4
Ref Reference (pH 7) 4.95 9.22 -38.63 0 5 -1 70 371.825 5
Hi High (pH 8-9.5) 5.90 8.2 -41.26 0 5 -1 75 371.825 4
Hi High (pH 8-9.5) 5.90 7.6 -44.16 0 5 -1 75 371.825 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )